REMARK  Name = BDB031799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.866  -0.583   0.354  0.00  0.00    +0.154 A 
ATOM      2  C   LIG    1       -0.688   0.050   0.867  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.260  -0.960   0.954  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.567  -0.750   1.409  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.950   0.552   1.787  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        0.989   1.575   1.722  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -0.382  -2.083   0.518  0.00  0.00    -0.275 N 
ATOM      8  H   LIG    1       -0.006  -3.020   0.442  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -0.319   1.348   1.266  0.00  0.00    +0.014 A 
ATOM     10  N   LIG    1       -1.656  -1.889   0.161  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        3.351   0.816   2.288  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1        4.563   0.672   1.386  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1        4.536   0.279  -0.064  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.592  -0.620  -0.283  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        5.868  -1.196  -1.509  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        5.047  -0.844  -2.581  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        3.998   0.073  -2.402  0.00  0.00    +0.039 A 
ATOM     18  N   LIG    1        6.306  -0.798   0.904  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        7.133  -1.365   1.015  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        3.754   0.637  -1.147  0.00  0.00    +0.129 A 
ATOM     21  F   LIG    1        2.774   1.540  -1.020  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        5.781  -0.037   1.933  0.00  0.00    +0.228 C 
ATOM     23  O   LIG    1        6.197   0.053   3.075  0.00  0.00    -0.274 OA
ATOM     24  C   LIG    1        4.141   2.033   1.852  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     25  N   LIG    1       -3.008   0.111   0.146  0.00  0.00    -0.279 N 
ATOM     26  H   LIG    1       -3.010   1.111   0.309  0.00  0.00    +0.155 HD
BRANCH  25  28
ATOM     27  C   LIG    1       -5.279   0.622  -0.461  0.00  0.00    +0.178 A 
ATOM     28  C   LIG    1       -4.198  -0.261  -0.530  0.00  0.00    +0.170 A 
ATOM     29  N   LIG    1       -4.291  -1.437  -1.181  0.00  0.00    -0.214 NA
ATOM     30  C   LIG    1       -5.459  -1.748  -1.761  0.00  0.00    +0.128 A 
ATOM     31  C   LIG    1       -5.538  -3.047  -2.499  0.00  0.00    +0.088 C 
ATOM     32  N   LIG    1       -6.547  -0.959  -1.763  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1       -6.428   0.211  -1.105  0.00  0.00    +0.162 A 
BRANCH  27  35
ATOM     34  C   LIG    1       -6.235   2.638   0.353  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -5.093   1.802   0.210  0.00  0.00    -0.490 OA
ENDBRANCH  27  35
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4